Canonical SMILES: CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]3OS(=O)(=O)O)[C@@H](O)[C@H](O[C@H]3[C@@H](NC(C)=O)[C@H](O[C@H]4[C@H](O[C@@H]5O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]5OS(=O)(=O)O)[C@@H](O)[C@H](O[C@H]5[C@@H](NC(C)=O)[C@H](O[C@H]6[C@H](O[C@@H]7O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]7OS(=O)(=O)O)[C@@H](O)[C@H](O[C@H]7[C@@H](NC(C)=O)[C@H](O[C@H]8[C@H](O[C@@H]9O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]9OS(=O)(=O)O)[C@@H](O)[C@H](O[C@H]9[C@@H](NC(C)=O)[C@H](O[C@@H]([C@H](O[C@@H]%10O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]%10OS(=O)(=O)O)[C@@H](O)CO)[C@H](O)C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H]9OS(=O)(=O)[O-])O[C@@H]8C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H]7OS(=O)(=O)[O-])O[C@@H]6C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H]5OS(=O)(=O)[O-])O[C@@H]4C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H]3OS(=O)(=O)[O-])O[C@@H]2C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1OC(C(=O)[O-])=C[C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]2OS(=O)(=O)O)[C@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Standard InChI: InChI=1S/C112H175N5O151S22.22Na/c1-19-55(252-274(164,165)166)44(126)77(263-285(197,198)199)107(220-19)226-31-12-32(91(137)138)227-102(43(31)125)234-67-39(114-26(8)120)98(229-34(15-216-270(152,153)154)62(67)258-280(182,183)184)244-83-74(241-110-80(266-288(206,207)208)47(129)58(22(4)223-110)255-277(173,174)175)52(134)104(249-87(83)93(141)142)236-69-41(116-28(10)122)100(231-36(17-218-272(158,159)160)64(69)260-282(188,189)190)246-85-76(243-112-82(268-290(212,213)214)49(131)60(24(6)225-112)257-279(179,180)181)54(136)106(251-89(85)95(145)146)238-71-42(117-29(11)123)101(232-37(18-219-273(161,162)163)66(71)262-284(194,195)196)247-86-75(242-111-81(267-289(209,210)211)48(130)59(23(5)224-111)256-278(176,177)178)53(135)105(250-90(86)96(147)148)237-70-40(115-27(9)121)99(230-35(16-217-271(155,156)157)65(70)261-283(191,192)193)245-84-73(240-109-79(265-287(203,204)205)46(128)57(21(3)222-109)254-276(170,171)172)51(133)103(248-88(84)94(143)144)235-68-38(113-25(7)119)97(228-33(14-215-269(149,150)151)63(68)259-281(185,186)187)239-72(50(132)92(139)140)61(30(124)13-118)233-108-78(264-286(200,201)202)45(127)56(20(2)221-108)253-275(167,168)169;;;;;;;;;;;;;;;;;;;;;;/h12,19-24,30-31,33-90,97-112,118,124-136H,13-18H2,1-11H3,(H,113,119)(H,114,120)(H,115,121)(H,116,122)(H,117,123)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150,151)(H,152,153,154)(H,155,156,157)(H,158,159,160)(H,161,162,163)(H,164,165,166)(H,167,168,169)(H,170,171,172)(H,173,174,175)(H,176,177,178)(H,179,180,181)(H,182,183,184)(H,185,186,187)(H,188,189,190)(H,191,192,193)(H,194,195,196)(H,197,198,199)(H,200,201,202)(H,203,204,205)(H,206,207,208)(H,209,210,211)(H,212,213,214);;;;;;;;;;;;;;;;;;;;;;/q;22*+1/p-22/t19-,20-,21-,22-,23-,24-,30-,31-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72+,73+,74+,75+,76+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,97-,98-,99-,100-,101-,102-,103+,104+,105+,106+,107-,108-,109-,110-,111-,112-;;;;;;;;;;;;;;;;;;;;;;/m0....................../s1
Standard InChI Key: WBBIKJNYIGIEJJ-MHMMQERKSA-A
Molfile:
RDKit 2D
328321 0 0 0 0 0 0 0 0999 V2000
31.8616 -8.1816 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
26.7692 -15.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
26.5587 -14.2802 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
25.9813 -14.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.7393 -15.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.5288 -14.9901 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
19.9514 -15.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7094 -16.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4990 -15.6876 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
13.9215 -16.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6796 -17.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4691 -16.3851 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.8916 -16.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9616 -17.1032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1763 -16.3149 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.3863 -16.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
32.7991 -14.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
32.5886 -13.5786 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
32.0112 -14.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1676 -10.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.6030 -12.7101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
32.1354 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0419 -15.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7558 -11.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
25.0729 -14.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3383 -15.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.5694 -11.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9834 -17.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.4093 -9.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3198 -11.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9835 -10.9153 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
31.8859 -10.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.6629 -14.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.3346 -11.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5978 -8.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
28.2010 -7.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.8062 -10.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7234 -13.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.8776 -10.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8538 -16.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3611 -12.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8944 -10.2596 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
22.9203 -15.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1965 -10.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0718 -14.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.7356 -16.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4188 -18.5677 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
25.8935 -13.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.8936 -15.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.3058 -12.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.6422 -7.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.2543 -11.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.4382 -8.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9166 -14.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0799 -12.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9203 -13.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.2276 -12.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5866 -9.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5097 -13.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1363 -15.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7593 -13.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0775 -10.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4598 -11.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6399 -11.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.2232 -9.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.0676 -8.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7465 -12.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1024 -13.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.1723 -8.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
28.5272 -6.7973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
28.5982 -11.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1911 -17.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5433 -14.1185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9822 -11.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6032 -16.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8263 -11.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
27.9722 -13.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0781 -17.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4387 -8.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.5385 -12.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9921 -12.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5527 -9.7774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
30.5889 -12.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 -16.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9911 -12.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8040 -15.9158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3301 -16.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.5042 -16.4633 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
16.9531 -8.8593 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.2608 -15.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.2501 -9.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6510 -16.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.0390 -9.5109 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
31.9222 -13.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
30.3587 -14.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9536 -12.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8447 -11.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2714 -17.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.9758 -11.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3983 -17.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3611 -13.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8180 -12.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7260 -12.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7523 -12.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0684 -14.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.2831 -10.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4706 -14.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3012 -17.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7131 -14.6878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6833 -15.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
24.5195 -10.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4486 -17.8677 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.6698 -10.4741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.6916 -14.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8863 -13.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
27.1103 -9.6266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.4775 -17.1675 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
23.4291 -17.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5710 -9.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2404 -17.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.7651 -14.7435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1648 -13.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.4984 -7.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6800 -17.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.6985 -9.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.7294 -9.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
30.5482 -9.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.5118 -12.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.1016 -14.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6043 -13.4945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5666 -15.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0978 -14.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4234 -15.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.7643 -15.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.6767 -16.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.4972 -10.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9242 -9.5635 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5704 -14.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21.1580 -11.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1946 -12.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6598 -12.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3826 -10.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5734 -16.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.1486 -14.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5004 -14.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7892 -12.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9491 -12.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
30.0047 -11.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3396 -19.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
26.7815 -10.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0172 -14.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6574 -14.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0219 -11.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2957 -13.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1484 -16.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7087 -16.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.0127 -7.4550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6502 -18.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
26.2561 -8.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2433 -14.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.7137 -14.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6469 -17.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6808 -15.4311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.0409 -9.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
27.0720 -8.8108 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
30.8078 -10.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8545 -14.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1378 -11.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
28.6317 -12.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
31.1816 -13.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.0508 -10.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4705 -10.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8832 -13.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0632 -16.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.7364 -15.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1319 -12.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.2991 -16.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9100 -13.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7975 -12.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1582 -14.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3756 -15.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5457 -14.8947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
31.0795 -10.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.2196 -10.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
28.9491 -14.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8676 -15.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.4579 -16.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5740 -16.5190 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
27.7582 -8.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.5601 -12.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.8016 -12.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
26.6307 -8.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6961 -12.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7097 -16.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.6361 -15.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3256 -12.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1923 -13.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
27.2162 -12.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7754 -11.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4375 -11.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7728 -13.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4563 -14.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7420 -13.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5124 -10.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0121 -10.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
27.9429 -12.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.1005 -8.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.2766 -11.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21.9433 -13.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0582 -15.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3695 -18.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.5371 -15.7632 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
32.6640 -12.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.7405 -14.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.5334 -13.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4300 -12.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.6352 -12.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.2214 -10.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0507 -11.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1126 -9.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9536 -13.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6574 -11.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6936 -13.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.1867 -11.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
28.5259 -9.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.2796 -15.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.5720 -13.4143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4529 -16.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4717 -8.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.7790 -11.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1873 -12.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4089 -9.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.6709 -6.9729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8606 -16.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6155 -8.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1612 -18.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.2210 -12.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
29.3896 -14.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7167 -12.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8246 -15.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0132 -16.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.7692 -13.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0512 -13.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7676 -12.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5135 -14.8145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.8625 -14.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8308 -17.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5423 -10.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
26.1067 -12.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0198 -11.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1311 -12.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4077 -12.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4777 -13.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
26.3811 -11.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1606 -13.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3936 -15.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.4140 -10.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4799 -13.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6574 -14.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8338 -15.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.2199 -16.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0931 -15.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9536 -11.6153 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
19.2791 -13.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5756 -14.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.3258 -15.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3609 -15.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.1219 -14.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2461 -13.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.4831 -13.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1658 -12.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3538 -10.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2163 -14.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.2508 -16.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.2477 -12.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1318 -14.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.1415 -8.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0123 -10.2151 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.9613 -13.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1947 -11.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.3544 -12.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8878 -15.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9839 -8.1551 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0828 -10.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2702 -16.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.8565 -10.7753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2580 -14.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4927 -11.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.8350 -10.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.8175 -8.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.7447 -9.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
33.3318 -13.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9871 -16.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2135 -16.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.2434 -15.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.2721 -14.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
27.3027 -13.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 -11.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9452 -11.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6980 -11.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6251 -12.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7318 -10.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6518 -11.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.7674 -10.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.6874 -11.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.7875 -9.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.7147 -10.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8602 -18.0261 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
1.7294 -9.5784 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
6.9843 -9.3124 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
3.2593 -9.7780 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
5.8535 -20.0216 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
7.3834 -11.1083 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
9.3124 -9.2458 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
12.6382 -8.6472 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
13.3699 -10.5762 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
12.2391 -19.6225 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
15.6315 -8.5807 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
18.7578 -7.2503 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
17.4274 -19.0903 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
19.7555 -9.1793 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
21.0858 -7.6494 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
24.2787 -6.5852 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
23.0148 -18.8908 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
25.0103 -8.9133 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
26.8063 -6.9843 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
29.9326 -5.9865 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
29.5335 -17.6935 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
3 2 2 0
4 3 2 0
6 5 2 0
7 6 2 0
9 8 2 0
10 9 2 0
12 11 2 0
13 12 2 0
15 14 2 0
16 15 2 0
18 17 2 0
19 18 2 0
112124 2 0
61258 1 0
244154 1 0
84188 1 0
72112 1 0
129170 1 0
270144 1 0
101105 1 0
140271 1 0
258122 1 0
172199 1 0
30 74 1 0
166183 1 0
202203 1 6
85 63 1 1
202161 1 0
286171 1 0
146 67 1 0
196251 1 0
52218 1 0
57237 1 6
263168 2 0
212134 2 0
214 33 1 0
29 66 1 0
97139 1 6
22257 1 0
183127 1 1
172142 1 1
96221 1 0
131 90 1 0
76281 1 0
226212 1 0
47149 1 0
122115 1 0
142164 1 0
249217 1 6
136 37 1 0
76250 1 0
269243 1 0
120 28 1 0
177 23 1 0
106 91 1 0
136 29 1 1
28174 1 0
258245 1 6
39224 1 6
192165 2 0
223115 1 6
256174 1 0
178209 1 0
263 64 1 0
106148 1 0
88 46 2 0
195 49 1 6
171111 1 1
173255 2 0
34 83 1 1
55130 1 6
71169 1 6
190270 1 0
55281 1 0
221160 1 1
133109 1 6
137 58 1 0
61239 1 0
229 89 2 0
137220 2 0
95129 1 0
52275 1 6
35 93 2 0
53207 1 0
240 40 1 0
266274 1 6
167282 1 0
74 42 1 0
269145 1 1
120236 1 6
287 45 1 0
199219 1 1
37 62 1 1
122176 1 0
200272 1 1
177261 1 6
215202 1 0
34 22 1 0
167276 2 0
228210 1 0
279216 1 1
117100 1 0
81263 1 0
90 84 1 6
66283 1 0
71106 1 0
39 71 1 0
143247 1 6
230 50 1 0
27 52 1 0
143120 1 0
270214 1 0
261117 1 0
250288 1 1
212187 1 0
256 92 1 0
164 89 1 0
89277 2 0
117156 2 0
264215 1 1
219278 1 0
285241 1 0
238212 2 0
254286 1 0
80 57 1 0
281 24 1 6
196103 1 6
97 27 1 0
151182 1 6
241135 1 6
31113 1 0
59140 1 0
128170 1 0
22213 1 6
268246 1 1
114185 1 6
128242 1 0
144 48 1 1
204263 2 0
32183 1 0
25175 1 6
166 34 1 0
248 31 2 0
92143 1 0
102199 1 0
23194 1 6
170 94 1 1
280172 1 0
207157 1 0
50249 1 0
157233 1 0
27 21 1 6
38 56 1 6
165159 2 0
227173 1 0
200 67 1 0
146 59 1 0
62 93 1 0
230 99 1 6
225289 1 0
73167 1 0
88118 1 0
166148 1 6
259152 1 6
154 68 1 0
271200 1 0
140197 1 6
97 37 1 0
104264 1 0
106208 1 6
244279 1 0
108112 2 0
188 78 1 0
95226 1 6
264 55 1 0
128191 1 6
242114 1 0
283 69 2 0
38 85 1 0
104250 1 0
249254 1 0
287253 1 6
59 73 1 6
23268 1 0
195177 1 0
173 54 1 0
178231 2 0
225 53 1 1
218136 1 0
38269 1 0
61105 1 1
287210 1 0
262260 1 1
131181 1 6
160287 1 0
241262 1 0
39289 1 0
283 51 1 0
259101 1 0
79137 2 0
141222 1 0
91225 1 0
104147 1 6
256110 1 6
169206 1 0
75234 1 6
52 99 1 0
25144 1 0
89235 1 0
151154 1 0
267 88 2 0
252239 1 0
33 43 1 6
210186 1 1
80227 1 6
274 88 1 0
254150 1 6
153 31 1 0
176252 1 0
174 86 1 1
83128 1 0
254224 1 0
112211 1 0
28162 1 6
26188 2 0
266 25 1 0
206 77 1 0
93 65 2 0
243196 1 0
157 36 2 0
114 95 1 0
119278 2 0
145133 1 0
179 85 1 0
278125 1 0
101138 1 6
101 41 1 0
123283 2 0
116165 1 0
154193 1 6
133163 1 0
33266 1 0
93126 1 0
273151 1 0
289116 1 1
270201 1 6
205137 1 0
45131 1 0
179196 1 0
245240 1 0
98 47 2 0
90228 1 0
278 44 2 0
21178 1 0
87117 2 0
163 75 1 0
281139 1 0
243265 1 6
236 47 1 0
223273 1 0
285 72 1 6
221259 1 0
57280 1 0
188 60 2 0
232 42 2 0
42284 2 0
129121 1 6
57147 1 0
223279 1 0
70157 2 0
239 81 1 1
140 56 1 0
240132 2 0
228155 1 6
133262 1 0
42 82 1 0
272205 1 0
41141 1 0
67153 1 1
102251 1 6
146 68 1 6
165189 1 0
230171 1 0
252 30 1 1
50190 1 1
161195 1 0
102 80 1 0
257184 1 0
122180 1 6
206198 2 0
47158 2 0
202268 1 0
75285 1 0
273107 1 1
31 20 2 0
107256 1 0
96141 2 0
127290 1 0
127291 2 0
94 18 1 0
18292 1 0
186 15 1 0
15293 1 0
86 12 1 0
12294 1 0
260 9 1 0
9295 1 0
246 6 1 0
6296 1 0
48 3 1 0
3297 1 0
222298 1 0
222299 2 0
216300 1 0
216301 2 0
63302 1 0
63303 2 0
288304 1 0
288305 2 0
111306 1 0
111307 2 0
M CHG 8 1 1 51 -1 58 -1 64 -1 78 -1 82 -1 100 -1 113 -1
M CHG 8 118 -1 125 -1 126 -1 149 -1 187 -1 189 -1 211 -1 233 -1
M CHG 8 235 -1 290 -1 298 -1 300 -1 302 -1 304 -1 306 -1 308 1
M CHG 8 309 1 310 1 311 1 312 1 313 1 314 1 315 1 316 1
M CHG 8 317 1 318 1 319 1 320 1 321 1 322 1 323 1 324 1
M CHG 4 325 1 326 1 327 1 328 1
M END 
